2-chloro-1-[6-(2-chloroacetyl)-9H-fluoren-3-yl]ethan-1-one

• ChemBase ID: 229347
• Molecular Formular: C17H12Cl2O2
• Molecular Mass: 319.18198
• Monoisotopic Mass: 318.02143498
• SMILES: c12c3c(Cc1ccc(c2)C(=O)CCl)ccc(c3)C(=O)CCl
• Canonical SMILES: ClCC(=O)c1ccc2c(c1)c1cc(ccc1C2)C(=O)CCl
• InChI: InChI=1S/C17H12Cl2O2/c18-8-16(20)12-3-1-10-5-11-2-4-13(17(21)9-19)7-15(11)14(10)6-12/h1-4,6-7H,5,8-9H2
• InChIKey: RSLKYBMHESSAFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1-[6-(2-chloroacetyl)-9H-fluoren-3-yl]ethan-1-one
• IUPAC Traditional name: 2-chloro-1-[6-(2-chloroacetyl)-9H-fluoren-3-yl]ethanone
• Synonyms: 2-Chloro-1-[6-(2-chloro-acetyl)-9H-fluoren-3-yl]-ethanone

Database IDs

• MDL Number: MFCD03964193
• PubChem SID: 164285257
• PubChem CID: 3821848

CALCULATED PROPERTIES

• Acid pKa: 15.056641
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.929002
• LogD (pH = 7.4): 3.929002
• Log P: 3.929002
• Molar Refractivity: 85.1854 cm^3
• Polarizability: 33.404675 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 - 202°C
• Hydrophobicity(logP): 3.234

Product Information

• Purity: 95%